[5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate
| Internal ID | ece23fa0-c953-4bc5-8659-508df29bde4d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [5-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CN=CC=C4)O |
| SMILES (Isomeric) | C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)CO)CO)O)O)O)(COC(=O)C4=CN=CC=C4)O |
| InChI | InChI=1S/C24H29NO12/c26-9-13-3-5-15(6-4-13)35-22-19(18(29)17(28)16(10-27)36-22)37-23-20(30)24(32,12-34-23)11-33-21(31)14-2-1-7-25-8-14/h1-8,16-20,22-23,26-30,32H,9-12H2 |
| InChI Key | WLOKQJZIRPRDNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H29NO12 |
| Molecular Weight | 523.50 g/mol |
| Exact Mass | 523.16897536 g/mol |
| Topological Polar Surface Area (TPSA) | 198.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of [5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/996fd570-8634-11ee-88b1-f17173b7affc.jpg "2D Structure of [5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl pyridine-3-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.13% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.50% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.06% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.63% | 97.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 91.44% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.53% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.29% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.93% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.42% | 91.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.18% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.13% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.40% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.63% | 98.95% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.99% | 93.81% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.43% | 93.04% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.35% | 97.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cucurbita pepo |
| PubChem | 73048892 |
| LOTUS | LTS0053850 |
| wikiData | Q105308128 |